1,3-二环己基-5-甲基巴比妥酸
TL;DR: 1,3-二环己基-5-甲基巴比妥酸 (CAS 739-49-1) is a chemical compound with molecular formula C17H26N2O3 and molecular weight 306.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-二环己基-5-甲基巴比妥酸
1,3-dicyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione
Also Known As: 1,3-Dicyclohexyl-5-methylbarbituric acid, 1,3-Dicyclohexyl-5-methylbarbituricacid, BARBITURIC ACID, 1,3-DICYCLOHEXYL-5-METHYL-, 5-24-09-00117 (Beilstein Handbook Reference), 1,3-dicyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C17H26N2O3 |
|---|---|
| Molecular Weight | 306.19 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.19434 |
| Heavy Atoms | 22 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 739-49-1 |
|---|---|
| SMILES | CC1C(=O)N(C(=O)N(C1=O)C2CCCCC2)C3CCCCC3 |
| InChIKey | ILCHAUPJKKIXPX-UHFFFAOYSA-N |
Product Overview
1,3-二环己基-5-甲基巴比妥酸 (CAS 739-49-1), with molecular formula C17H26N2O3 and molecular weight 306.19 g/mol. IUPAC: 1,3-dicyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1,3-二环己基-5-甲基巴比妥酸
Property Insights of 1,3-二环己基-5-甲基巴比妥酸
The XLogP value of 3.4 indicates that 1,3-二环己基-5-甲基巴比妥酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.7 Ų, 1,3-二环己基-5-甲基巴比妥酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-二环己基-5-甲基巴比妥酸 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-二环己基-5-甲基巴比妥酸?
The CAS number of 1,3-二环己基-5-甲基巴比妥酸 is 739-49-1.
What is the molecular formula of 1,3-二环己基-5-甲基巴比妥酸?
The molecular formula of 1,3-二环己基-5-甲基巴比妥酸 is C17H26N2O3.
What is the molecular weight of 1,3-二环己基-5-甲基巴比妥酸?
The molecular weight of 1,3-二环己基-5-甲基巴比妥酸 is 306.19 g/mol.
Where can I buy 1,3-二环己基-5-甲基巴比妥酸?
You can request a quote for 1,3-二环己基-5-甲基巴比妥酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-二环己基-5-甲基巴比妥酸?
Yes, KEHONG BIO provides custom synthesis services for 1,3-二环己基-5-甲基巴比妥酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.